(2-methoxy-3-tetradecoxy-phenyl) [2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate

Systemtic Name: (2-methoxy-3-tetradecoxy-phenyl) [2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Openeye Name: (2-methoxy-3-tetradecoxy-phenyl) [2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate CAS Name: (2-methoxy-3-tetradecoxyphenyl) [2-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl] hydrogen phosphate IUPAC Name: (2-methoxy-3-tetradecoxyphenyl) [2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Traditional Name: (2-methoxy-3-myristyloxy-phenyl) [2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl] hydrogen phosphate Formula: C32H47NO6PS+ MolecularWeight: 604.757441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CSC(=C3)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CSC(=C3)C)OC

InChI

InChI=1S/C32H46NO6PS/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-37-30-21-18-22-31(32(30)36-3)39-40(34,35)38-29-20-16-15-19-28(29)25-33-24-27(2)41-26-33/h15-16,18-22,24,26H,4-14,17,23,25H2,1-3H3/p+1